CID 9570938

100278-32-8

Structural Information

Molecular Formula
C23H20ClN3O4
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C23H20ClN3O4/c1-30-20-12-3-15(13-21(20)31-2)14-25-27-23(29)17-6-10-19(11-7-17)26-22(28)16-4-8-18(24)9-5-16/h3-14H,1-2H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
PDKGFDGPDIYRNG-AFUMVMLFSA-N
Compound name
4-[(4-chlorobenzoyl)amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.11423 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.12151 204.1
[M+Na]+ 460.10345 210.1
[M-H]- 436.10695 215.0
[M+NH4]+ 455.14805 213.7
[M+K]+ 476.07739 205.3
[M+H-H2O]+ 420.11149 193.8
[M+HCOO]- 482.11243 226.0
[M+CH3COO]- 496.12808 236.6
[M+Na-2H]- 458.08890 206.1
[M]+ 437.11368 209.6
[M]- 437.11478 209.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.